Geometry & MOs

Info

ID:	283561
PubChem CID:	103988996
Reduced:	BrClNOH7C10 (1)
Stoich.:	ABCDE7F10 (1)
Weight, g/mol:	302.012806
ΔH_f, kcal/mol:	24.89
Dipole, Da:	3.37
IP(EA), eV:	-9.94(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[(2-chloro-4-cyanophenyl)sulfonylamino]propanoate

Drug info:

PubChemData

Smile

C#CCNC(=O)C1=C(C(=CC=C1)Br)Cl

DOS

IR

Vibrations